An improved NMR approach for metabolomics of intact serum samples

Grasso, Daniela; Pillozzi, Serena; Tazza, Ilaria; Bertelli, Matteo; Campanacci, Domenico Andrea; Palchetti, Ilaria; Bernini, Andrea

doi:10.1016/j.ab.2022.114826

Cited by 3 publications

(2 citation statements)

References 22 publications

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“…As a result, J-modulation becomes less problematic in PROJECT, compared to the CPMG sequence, since the echo imperfections are corrected [ 22 ]. Metabolomics studies looking at intact plasma [ 47 ] and serum [ 48 ] have indicated that using the PROJECT variation of the original CPMG sequence resulted in improved recovery of multiplets. Therefore, it is reasonable to expect that a T 2 PROJECT filter may yield some promising results in terms of lipid suppression, possibly allowing for the identification of individual metabolites when applied to the samples investigated here.…”

Section: Resultsmentioning

confidence: 99%

Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations

Ronda,

Downey,

Jenne

et al. 2023

Molecules

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Environmental metabolomics provides insight into how anthropogenic activities have an impact on the health of an organism at the molecular level. Within this field, in vivo NMR stands out as a powerful tool for monitoring real-time changes in an organism’s metabolome. Typically, these studies use 2D 13C-1H experiments on 13C-enriched organisms. Daphnia are the most studied species, given their widespread use in toxicity testing. However, with COVID-19 and other geopolitical factors, the cost of isotope enrichment increased ~6–7 fold over the last two years, making 13C-enriched cultures difficult to maintain. Thus, it is essential to revisit proton-only in vivo NMR and ask, “Can any metabolic information be obtained from Daphnia using proton-only experiments?”. Two samples are considered here: living and whole reswollen organisms. A range of filters are tested, including relaxation, lipid suppression, multiple-quantum, J-coupling suppression, 2D 1H-1H experiments, selective experiments, and those exploiting intermolecular single-quantum coherence. While most filters improve the ex vivo spectra, only the most complex filters succeed in vivo. If non-enriched organisms must be used, then, DREAMTIME is recommended for targeted monitoring, while IP-iSQC was the only experiment that allowed non-targeted metabolite identification in vivo. This paper is critically important as it documents not just the experiments that succeed in vivo but also those that fail and demonstrates first-hand the difficulties associated with proton-only in vivo NMR.

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Section: Resultsmentioning

confidence: 99%

Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations

Ronda,

Downey,

Jenne

et al. 2023

Molecules

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“…Indeed, data integration from different models/techniques contributes to expanding the picture in a rare disease such as alkaptonuria and may overcome some limitations. For example, renal metabolism may contribute to the urine metabolomic profile [ 63 ], suggesting the inclusion of further metabolomics analysis of, e.g., intact serum/plasma [ 64 ]. Moreover, damage to joints in alkaptonuria appears to be correlated with HGA or its metabolites directly attacking structural proteins by, e.g., free radical attack [ 19 ], suggesting further molecular studies directed at the damaged tissues are needed.…”

Section: Resultsmentioning

confidence: 99%

Untargeted NMR Metabolomics Reveals Alternative Biomarkers and Pathways in Alkaptonuria

Grasso

Geminiani

Galderisi

et al. 2022

IJMS

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Alkaptonuria (AKU) is an ultra-rare metabolic disease caused by the accumulation of homogentisic acid (HGA), an intermediate product of phenylalanine and tyrosine degradation. AKU patients carry variants within the gene coding for homogentisate-1,2-dioxygenase (HGD), which are responsible for reducing the enzyme catalytic activity and the consequent accumulation of HGA and formation of a dark pigment called the ochronotic pigment. In individuals with alkaptonuria, ochronotic pigmentation of connective tissues occurs, leading to inflammation, degeneration, and eventually osteoarthritis. The molecular mechanisms underlying the multisystemic development of the disease severity are still not fully understood and are mostly limited to the metabolic pathway segment involving HGA. In this view, untargeted metabolomics of biofluids in metabolic diseases allows the direct investigation of molecular species involved in pathways alterations and their interplay. Here, we present the untargeted metabolomics study of AKU through the nuclear magnetic resonance of urine from a cohort of Italian patients; the study aims to unravel molecular species and mechanisms underlying the AKU metabolic disorder. Dysregulation of metabolic pathways other than the HGD route and new potential biomarkers beyond homogentisate are suggested, contributing to a more comprehensive molecular signature definition for AKU and the development of future adjuvant treatment.

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NMR-based metabolomics as a significant tool for human nutritional research and health applications

et al. 2023

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An improved NMR approach for metabolomics of intact serum samples

Cited by 3 publications

References 22 publications

Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations

Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations

Untargeted NMR Metabolomics Reveals Alternative Biomarkers and Pathways in Alkaptonuria

NMR-based metabolomics as a significant tool for human nutritional research and health applications

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